Minnesota - Gaussian Solvation Module
Date of most recent change to this software: November 20, 2012
MN-GSM-v2012
Abstract
MN-GSM (Minnesota Gaussian Solvation Module) is
a module for incorporation of the SMx solvation models and other
enhancements
into GAUSSIAN09 Revision C.01 and into MN-GFM version 6.2 and later.
MN-GSM adds the following new capabilities to
GAUSSIAN:
Lowdin partial atomic charges
Redistributed Lowdin population analysis (RLPA) partial atomic charges
CM2, CM3, and CM4/CM4M Class IV charges for molecules in the gas-phase
or liquid-phase
Calculation of the solvent-accessible surface area (SASA) of the atoms
in a given solute
Generalized Born electrostatic solvation model using Lowdin or RLPA
partial
atomic charges
SM5.42, SM5.43, SM6, SM8, SM8AD, and SM8T solvation models
The SM12 and VEM(d) models are also available.
Availability and Distribution
Our license does not permit distribution of modified GAUSSIAN
code.
Users Manual
MN-GSM Users Manual in PDF
format
Density Functional Methods
DFT methods available in GAUSSIAN03/09 and MN-GFM
Minnesota Solvation Database
version 2009
Minnesota Solvent Descriptor Database
PDF
format or
PostScript
format
References and links
Comparison
of solvation packages
U of M Solvation Models
and Software Home page
Password-protected
link for internal use
This document last modified
by Software
Manager